769152-56-9
4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
Name4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
1Identification
【Name】
4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153526
【English Synonyms】
【Formula】
C27 H20 Br N3 O4
【MolWeight】
530.376
【Inchi】
InChI=1S/C27H20BrN3O4/c1-17-7-2-4-10-21(17)27(34)35-24-14-13-20(28)15-19(24)16-29-31-26(33)25(32)30-23-12-6-9-18-8-3-5-11-22(18)23/h2-16H,1H3,(H,30,32)(H,31,33)/b29-16+
【InChIKey】
InChIKey=YDDGPRFAWAWEEN-MUFRIFMGSA-N
【SMILES】
Cc1ccccc1C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3cccc4c3cccc4)Br
【MOL File】
4-BR-2-(2-((1-NAPHTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE.cml